SCHEMBL5577447

SCHEMBL5577447

COc1cccc(F)c1C(=O)NCc1ccccc1N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 1/20 0.53
DRD2 P14416 7/20 0.52
HTR1A P08908 1/20 0.52
DRD3 P35462 6/20 0.51
HTR7 P34969 4/20 0.51
DRD4 P21917 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5577767 0.95 MAPK1 (0.62) MAPK1ALDH1A1KDM4EKMT2ADRD2
SCHEMBL5577694 0.84 SIGMAR1 (0.51) ALDH1A1KMT2ADRD2DRD3DRD4
SCHEMBL5577434 0.81 MAPK1 (0.51) MAPK1KMT2ADRD2DRD3DRD4
SCHEMBL5577575 0.79 DRD3 (0.53) MAPK1ALDH1A1KMT2ADRD2DRD3
SCHEMBL5577433 0.78 DRD2 (0.53) MAPK1DRD2HTR1ADRD3HTR7
SCHEMBL5577394 0.78 CNR2 (0.49) MAPK1DRD2HTR1ADRD3DRD4
SCHEMBL5577639 0.77 LMNA (0.61) MAPK1KMT2ADRD2HTR1AHTR7
SCHEMBL5577456 0.77 KMT2A (0.53) MAPK1ALDH1A1KMT2ADRD2DRD3
SCHEMBL5577597 0.77 DRD2 (0.52) MAPK1ALDH1A1KDM4EKMT2ADRD2
SCHEMBL5577445 0.76 CHRM3 (0.51) MAPK1ALDH1A1KDM4EKMT2ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MAPK1 592/4885ALDH1A1 1147/4885KDM4E 4213/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.